[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate

C26H26N4O6 — CID 67221597

IUPAC[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
SMILESCCc1cc(C#N)ccc1NC(=O)C(OC(C)=O)C1OCCN(c2ccc3c(c2)C(=O)N(C)C3)C1=O
InChIInChI=1S/C26H26N4O6/c1-4-17-11-16(13-27)5-8-21(17)28-24(32)22(36-15(2)31)23-26(34)30(9-10-35-23)19-7-6-18-14-29(3)25(33)20(18)12-19/h5-8,11-12,22-23H,4,9-10,14H2,1-3H3,(H,28,32)
InChIKeyRGDSHCPWAXWDIS-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.01
Rot. Bonds6

About [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate

[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate (PubChem CID 67221597) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
PubChem CID67221597
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
SMILESCCc1cc(C#N)ccc1NC(=O)C(OC(C)=O)C1OCCN(c2ccc3c(c2)C(=O)N(C)C3)C1=O
InChIInChI=1S/C26H26N4O6/c1-4-17-11-16(13-27)5-8-21(17)28-24(32)22(36-15(2)31)23-26(34)30(9-10-35-23)19-7-6-18-14-29(3)25(33)20(18)12-19/h5-8,11-12,22-23H,4,9-10,14H2,1-3H3,(H,28,32)
InChIKeyRGDSHCPWAXWDIS-UHFFFAOYSA-N
XLogP2.01
TPSA129.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-carbamimidoyl-2-ethylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 58181669
[(1R)-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-isocyanoanilino]-1-[(2R)-4-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 58290578
N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 67221522
[(1R)-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-2-oxo-1-[(2R)-3-oxo-4-[3-(pyrrolidine-1-carbonyl)phenyl]morpholin-2-yl]ethyl] acetate
CID 67222212
[(1R)-2-[[7-carbamoyl-3-(1,3-dioxoisoindol-2-yl)-1,2-benzothiazol-6-yl]amino]-1-[(2R)-4-[1-(4-cyanophenyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 118591255
(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 118591047
[4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
CID 67221876
benzyl 3-[2-[(1R)-1-acetyloxy-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 67221646
tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate
CID 70225398
tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-oxomorpholin-2-yl]acetate
CID 67222320
methyl 2-[(2R)-2-[(1R)-1-acetyloxy-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 67222625
[(1R)-2-(3-fluoro-4-isocyanoanilino)-2-oxo-1-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]ethyl] acetate
CID 58181728

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate (CID 67221597) is [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate is CCc1cc(C#N)ccc1NC(=O)C(OC(C)=O)C1OCCN(c2ccc3c(c2)C(=O)N(C)C3)C1=O.
What is the InChIKey of [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The InChIKey is RGDSHCPWAXWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-4-17-11-16(13-27)5-8-21(17)28-24(32)22(36-15(2)31)23-26(34)30(9-10-35-23)19-7-6-18-14-29(3)25(33)20(18)12-19/h5-8,11-12,22-23H,4,9-10,14H2,1-3H3,(H,28,32).
What are the key properties of [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
[2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate has a molecular weight of 490.52 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyano-2-ethylanilino)-1-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 67221597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).